TPCN02695
![[object Object]](../../static/browser_molecular_png/TPCN02695.png)
| Name | Ajugapantin A |
| Molecular Formula | C28H38O11 |
| Molecular Weight | 550.60 |
| CAS Registry Number | 121449-67-0 |
| SMILES | CC(=O)OCC12C(OC(C)=O)CC(C)C(C)(CC(OC(C)=O)C3=CC(=O)OC3)C1C(OC(C)=O)CCC21CO1 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Ajuga decumbens | Whole plants | 0.000375% | Nat Prod Res 28, 196-200 (2014). | 10.1080/14786419.2013.866114 |
Properties
| HBA | 11 | HBD | 0 |
| HeavyAtoms | 39 | AlogP | 2.43 |
| TPSA | 144.03 | RotatableBonds | 8 |
| FractionCSP3 | 0.75 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |